Geometry & MOs

Info

ID:	444760
PubChem CID:	135263495
Reduced:	FN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	287.115758
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	4.58
IP(EA), eV:	-8.69(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-hydroxy-1-(4-phenylmethoxyphenyl)ethyl]carbamic acid

Drug info:

PubChemData

Smile

C[C@H](CC1=CNC2=C1C=C(C=C2)F)NC(=O)O

DOS

IR

Vibrations